L886-0055 Screening compound: 2-cyclopentyl-1-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one

L886-0055 Screening compound: 2-cyclopentyl-1-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
L886-0055 Screening compound: 2-cyclopentyl-1-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L886-0055
2-cyclopentyl-1-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L886-0055

Molecular Formula

C19H28N6OS (C19 H28 N6 OS)

Compound Name

2-cyclopentyl-1-{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one

IUPAC name

2-cyclopentyl-1-{3-[5-(ethylsulfanyl)-4-methyl-4H-124-triazol-3-yl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl}ethan-1-one

SMILES

CCSc1nnc(-c2nn(C)c(CC3)c2CN3C(CC2CCCC2)=O)n1C

InChI

InChI=1S/C19H28N6OS/c1-4-27-19-21-20-18(23(19)2)17-14-12-25(10-9-15(14)24(3)22-17)16(26)11-13-7-5-6-8-13/h13H,4-12H2,1-3H3

InChI Key

KMXPPEFFKAYNJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28120202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.962

Distribution Coefficient, logD

1.938

Water Solubility, LogSw

-2.10

Polar Surface Area

56.681

Acid Dissociation Constant (pKa)

22.25

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

L886-0055 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L886-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L886-0055?
Check Price and Availability of L886-0055, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L886-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L886-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L886-0055
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L886-0055 available by request